1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide

C13H17N3O2S — CID 6469112

IUPAC1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cnn(CC)c2)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-11-5-7-12(8-6-11)15-19(17,18)13-9-14-16(4-2)10-13/h5-10,15H,3-4H2,1-2H3
InChIKeyHNQZOHGYJXDGHF-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.27
Rot. Bonds5

About 1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide

1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide (PubChem CID 6469112) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
PubChem CID6469112
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2cnn(CC)c2)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-11-5-7-12(8-6-11)15-19(17,18)13-9-14-16(4-2)10-13/h5-10,15H,3-4H2,1-2H3
InChIKeyHNQZOHGYJXDGHF-UHFFFAOYSA-N
XLogP2.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide (CID 6469112) is 1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide is CCc1ccc(NS(=O)(=O)c2cnn(CC)c2)cc1.
What is the InChIKey of 1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide?
The InChIKey is HNQZOHGYJXDGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-11-5-7-12(8-6-11)15-19(17,18)13-9-14-16(4-2)10-13/h5-10,15H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide?
1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 6469112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).